[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

Systemtic Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Openeye Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methyl-1-piperidyl]methanone CAS Name: [1-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-[(3R)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Traditional Name: [(3R)-3-methylpiperidino]-(1-o-veratrylpiperidin-1-ium-4-yl)methanone Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H32N2O3/c1-16-6-5-11-23(14-16)21(24)17-9-12-22(13-10-17)15-18-7-4-8-19(25-2)20(18)26-3/h4,7-8,16-17H,5-6,9-15H2,1-3H3/p+1/t16-/m1/s1